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Also known as: 147081-49-0, (r)-3-amino-1-n-boc-pyrrolidine, (r)-1-boc-3-aminopyrrolidine, Tert-butyl (3r)-3-aminopyrrolidine-1-carboxylate, (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate, (r)-(+)-n-boc-3-aminopyrrolidine
Molecular Formula
C9H18N2O2
Molecular Weight
186.25  g/mol
InChI Key
CMIBWIAICVBURI-SSDOTTSWSA-N

CAS 147081-49-0
1 2D Structure

CAS 147081-49-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
2.1.2 InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
2.1.3 InChI Key
CMIBWIAICVBURI-SSDOTTSWSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CCC(C1)N
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147081-49-0

2. (r)-3-amino-1-n-boc-pyrrolidine

3. (r)-1-boc-3-aminopyrrolidine

4. Tert-butyl (3r)-3-aminopyrrolidine-1-carboxylate

5. (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate

6. (r)-(+)-n-boc-3-aminopyrrolidine

7. (3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

8. 1-pyrrolidinecarboxylic Acid, 3-amino-, 1,1-dimethylethyl Ester, (3r)-

9. (r)-n-boc-3-aminopyrrolidine

10. (r)-3-amino-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

11. (3r)-(+)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

12. (r)-tert-butyl3-aminopyrrolidine-1-carboxylate

13. R-bocap

14. Mfcd03419272

15. (r)-3-amino-n-boc-pyrrolidine

16. (r)-3-amino-1-boc-pyrrolidine

17. Tert-butyl (3r)-3-aminopyrrolidinecarboxylate

18. Tert-butyl (r)-3-aminopyrrolidine-1-carboxylate

19. (3r)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine

20. R-n-boc-3-amino Pyrrolidine

21. Schembl241779

22. 1-boc-4(r)-aminopyrrolidine

23. Amy924

24. (r)-3-amino-1-n-bocpyrrolidine

25. Dtxsid00933026

26. (r)-1-n-boc-3-aminopyrrolidine

27. 1-n-boc-3-(r)-aminopyrrolidine

28. Zinc403623

29. (r)-1-n-boc 3-amino Pyrrolidine

30. (r)-3-amino-1-n-boc Pyrrolidine

31. Act03418

32. Bcp10029

33. (r)-(-)-n-boc-3-aminopyrrolidine

34. (r)-(+)-1-tboc-3-aminopyrrolidine

35. (r)-(+)-n-boc-3-amino Pyrrolidine

36. Akos005146096

37. Akos007930888

38. (3r)-(+)-1-boc-3-aminopyrrolidine

39. Cs-w008684

40. (3r)-(+)-3-amino-1-boc-pyrrolidine

41. As-44392

42. Bp-21177

43. (r)-3-aminopyrrolidine, N1-boc Protected

44. (3r)-3-amino-1-t-butoxycarbonylpyrrolidine

45. (r)-(+)-1-boc-3-aminopyrrolidine, 97%

46. (r)-n-tert-butoxycarbonyl-3-aminopyrrolidine

47. 1-tert-butoxycarbony-3(r)-amino-pyrrolidine

48. B2920

49. (r)-3-amino-1-tert-butoxycarbonylpyrrolidine

50. En300-89565

51. (r)-1-tert-butyloxycarbonyl-3-aminopyrrolidine

52. (r)-3-amino-n-(t-butoxycarbonyl)-pyrrolidine

53. A26404

54. A66009

55. (r)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

56. (r)-tert-butyl-3-aminopyrrolidine-1-carboxylate

57. Tert-butyl(r)-3-amino-pyrrolidine-1-carboxylate

58. (r)-(+)-n-tert-butoxycarbonyl-3-aminopyrrolidine

59. 081a490

60. Tert-butyl (3r)-3-amino-1-pyrrolidinecarboxylate

61. Tert-butyl (r)-3-amino-pyrrolidine-1-carboxylate

62. (r)-(+)-1-(tert-butoxycabonyl)-3-aminopyrrolidine

63. Q-102156

64. Tert. Butyl (r)-3-amino-pyrrolidine-1-carboxylate

65. (3r)-(+)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

66. (r)-(+)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

67. (r)-(+)-tert-butyl 3-aminopyrrolidine-1-carboxylate

68. 1,1-dimethylethyl (3r)-3-amino-1-pyrrolidinecarboxylate

69. (r)-3-aminopyrrolidine-1-carboxylic Acid Tert-butyl Ester

70. (r)-3-amino-1-pyrrolidinecarboxylic Acid, 1,1-dimethylethyl Ester

71. (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate;(r)-1-boc-3-aminopyrrolidine Citrate

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 186.25 g/mol
Molecular Formula C9H18N2O2
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass186.136827821 g/mol
Monoisotopic Mass186.136827821 g/mol
Topological Polar Surface Area55.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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